Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics

Detalhes bibliográficos
Autor(a) principal: Faria, Bruno Miguel Silva
Data de Publicação: 2023
Outros Autores: Silvestre, Nuno, Lopes, José N. Canongia Lopes
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: https://hdl.handle.net/1822/88065
Resumo: Graphene has been extensively studied as nanofiller to produce ultra-strong and ductile metal nanocomposites but challenges such as poor adhesion at the metal–carbon interface have yet to be met. Carbon honeycombs (CHCs) are highly porous3D graphene networks that possess a very large surface area-to-volume ratio, an outstanding physical absorption capacity and notable mechanical properties.Herein, these recently synthetized 3D CHCs are introduced in copper as nano-fillers, and the mechanical properties of the nanocomposites, such as elastic modulus, tensile strength, failure strain, compressive strength, and critical strain,are obtained using molecular dynamics simulations. Three CHC lattice types are studied, and the metal–carbon interface is accurately modeled by using melting and recrystallization of the copper matrix around the nanofiller. Gains between28% and 50% are obtained for the Young’s modulus, while the tensile strength improved between 43% and 49%. Pullout tests reveal that the copper nanopillars that form by the filling of the honeycomb cells of CHC by copper atoms considerably increase the pullout force and are responsible for improvements in adhesion and in loading stress transfer.
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spelling Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamicsDinâmica molecularNanocompósitos de grafeno 3DPropriedades mecânicasNovas nanoestruturas de carbonocarbon honeycombs (CHCs)copper nanocompositesgraphenemechanical propertiesmolecular dynamicsEngenharia e Tecnologia::Engenharia dos MateriaisScience & TechnologyGraphene has been extensively studied as nanofiller to produce ultra-strong and ductile metal nanocomposites but challenges such as poor adhesion at the metal–carbon interface have yet to be met. Carbon honeycombs (CHCs) are highly porous3D graphene networks that possess a very large surface area-to-volume ratio, an outstanding physical absorption capacity and notable mechanical properties.Herein, these recently synthetized 3D CHCs are introduced in copper as nano-fillers, and the mechanical properties of the nanocomposites, such as elastic modulus, tensile strength, failure strain, compressive strength, and critical strain,are obtained using molecular dynamics simulations. Three CHC lattice types are studied, and the metal–carbon interface is accurately modeled by using melting and recrystallization of the copper matrix around the nanofiller. Gains between28% and 50% are obtained for the Young’s modulus, while the tensile strength improved between 43% and 49%. Pullout tests reveal that the copper nanopillars that form by the filling of the honeycomb cells of CHC by copper atoms considerably increase the pullout force and are responsible for improvements in adhesion and in loading stress transfer.This work was supported by FCT, through IDMEC, under LAETA (project no. UIDB/50022/2020); through Centro de Quimica Estrutural (CQE) (project nos. UIDB/00100/2020 and PTDC/QUI-QFI/28367/2017), under Institute of Molecular Sciences (project no. LA/P/0056/2020) and through IPC-Institute for Polymers and Composites. The first author gratefully acknowledges the financial support given by FCT in the context of (grant no. CEECINST/00156/2018).WileyUniversidade do MinhoFaria, Bruno Miguel SilvaSilvestre, NunoLopes, José N. Canongia Lopes2023-03-272023-03-27T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/1822/88065engBruno Faria, Nuno Silvestre and José N.C. Lopes; Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics, Advanced Engineering Materials, Volume 25, 13, 2023, 23001471438-16561527-264810.1002/adem.2023001472300147https://doi.org/10.1002/adem.202300147info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-05-11T06:53:50Zoai:repositorium.sdum.uminho.pt:1822/88065Portal AgregadorONGhttps://www.rcaap.pt/oai/openairemluisa.alvim@gmail.comopendoar:71602024-05-11T06:53:50Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics
title Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics
spellingShingle Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics
Faria, Bruno Miguel Silva
Dinâmica molecular
Nanocompósitos de grafeno 3D
Propriedades mecânicas
Novas nanoestruturas de carbono
carbon honeycombs (CHCs)
copper nanocomposites
graphene
mechanical properties
molecular dynamics
Engenharia e Tecnologia::Engenharia dos Materiais
Science & Technology
title_short Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics
title_full Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics
title_fullStr Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics
title_full_unstemmed Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics
title_sort Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics
author Faria, Bruno Miguel Silva
author_facet Faria, Bruno Miguel Silva
Silvestre, Nuno
Lopes, José N. Canongia Lopes
author_role author
author2 Silvestre, Nuno
Lopes, José N. Canongia Lopes
author2_role author
author
dc.contributor.none.fl_str_mv Universidade do Minho
dc.contributor.author.fl_str_mv Faria, Bruno Miguel Silva
Silvestre, Nuno
Lopes, José N. Canongia Lopes
dc.subject.por.fl_str_mv Dinâmica molecular
Nanocompósitos de grafeno 3D
Propriedades mecânicas
Novas nanoestruturas de carbono
carbon honeycombs (CHCs)
copper nanocomposites
graphene
mechanical properties
molecular dynamics
Engenharia e Tecnologia::Engenharia dos Materiais
Science & Technology
topic Dinâmica molecular
Nanocompósitos de grafeno 3D
Propriedades mecânicas
Novas nanoestruturas de carbono
carbon honeycombs (CHCs)
copper nanocomposites
graphene
mechanical properties
molecular dynamics
Engenharia e Tecnologia::Engenharia dos Materiais
Science & Technology
description Graphene has been extensively studied as nanofiller to produce ultra-strong and ductile metal nanocomposites but challenges such as poor adhesion at the metal–carbon interface have yet to be met. Carbon honeycombs (CHCs) are highly porous3D graphene networks that possess a very large surface area-to-volume ratio, an outstanding physical absorption capacity and notable mechanical properties.Herein, these recently synthetized 3D CHCs are introduced in copper as nano-fillers, and the mechanical properties of the nanocomposites, such as elastic modulus, tensile strength, failure strain, compressive strength, and critical strain,are obtained using molecular dynamics simulations. Three CHC lattice types are studied, and the metal–carbon interface is accurately modeled by using melting and recrystallization of the copper matrix around the nanofiller. Gains between28% and 50% are obtained for the Young’s modulus, while the tensile strength improved between 43% and 49%. Pullout tests reveal that the copper nanopillars that form by the filling of the honeycomb cells of CHC by copper atoms considerably increase the pullout force and are responsible for improvements in adhesion and in loading stress transfer.
publishDate 2023
dc.date.none.fl_str_mv 2023-03-27
2023-03-27T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://hdl.handle.net/1822/88065
url https://hdl.handle.net/1822/88065
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Bruno Faria, Nuno Silvestre and José N.C. Lopes; Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics, Advanced Engineering Materials, Volume 25, 13, 2023, 2300147
1438-1656
1527-2648
10.1002/adem.202300147
2300147
https://doi.org/10.1002/adem.202300147
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Wiley
publisher.none.fl_str_mv Wiley
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv mluisa.alvim@gmail.com
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